1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone

C16H15FO4 — CID 43220187

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone
SMILESCOc1cccc(OCC(=O)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C16H15FO4/c1-19-12-4-3-5-13(9-12)21-10-15(18)11-6-7-16(20-2)14(17)8-11/h3-9H,10H2,1-2H3
InChIKeyMIQUUXBVIQTKAS-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.10
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone

1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone (PubChem CID 43220187) has the molecular formula C16H15FO4 and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone
PubChem CID43220187
Molecular FormulaC16H15FO4
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone
SMILESCOc1cccc(OCC(=O)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C16H15FO4/c1-19-12-4-3-5-13(9-12)21-10-15(18)11-6-7-16(20-2)14(17)8-11/h3-9H,10H2,1-2H3
InChIKeyMIQUUXBVIQTKAS-UHFFFAOYSA-N
XLogP3.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412672
1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43222244
2-(3-bromo-5-fluorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 81315368
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 8521806
2-(3-fluorophenoxy)-1-(4-methoxyphenyl)ethanone
CID 43413421
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7546510
2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]benzonitrile
CID 60656990
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7491072
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 7547367
[2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991637
2-(2-bromo-4-chlorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 55373790
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone (CID 43220187) is 1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone is COc1cccc(OCC(=O)c2ccc(OC)c(F)c2)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone?
The InChIKey is MIQUUXBVIQTKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO4/c1-19-12-4-3-5-13(9-12)21-10-15(18)11-6-7-16(20-2)14(17)8-11/h3-9H,10H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone?
1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone has a molecular weight of 290.29 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone is sourced from PubChem (CID 43220187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).